1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol

C15H20N2OS — CID 64586228

IUPAC1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol
SMILESCCCCN(c1ccccc1)c1ncc(C(C)O)s1
InChIInChI=1S/C15H20N2OS/c1-3-4-10-17(13-8-6-5-7-9-13)15-16-11-14(19-15)12(2)18/h5-9,11-12,18H,3-4,10H2,1-2H3
InChIKeyNQTVEIGJGWEPIN-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.13
Rot. Bonds6

About 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol

1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol (PubChem CID 64586228) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol
PubChem CID64586228
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol
SMILESCCCCN(c1ccccc1)c1ncc(C(C)O)s1
InChIInChI=1S/C15H20N2OS/c1-3-4-10-17(13-8-6-5-7-9-13)15-16-11-14(19-15)12(2)18/h5-9,11-12,18H,3-4,10H2,1-2H3
InChIKeyNQTVEIGJGWEPIN-UHFFFAOYSA-N
XLogP4.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol (CID 64586228) is 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol is CCCCN(c1ccccc1)c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol?
The InChIKey is NQTVEIGJGWEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-4-10-17(13-8-6-5-7-9-13)15-16-11-14(19-15)12(2)18/h5-9,11-12,18H,3-4,10H2,1-2H3.
What are the key properties of 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol?
1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol has a molecular weight of 276.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-butylanilino)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 64586228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).